Basic information
- CAS
101670-78-4- Standard SMILES
O=C(c1c[nH]c2ccc(OCc3ccccc3)cc12)C1CCNCC1- InChIKey
IMVYEAYZQOEKCO-UHFFFAOYSA-N- Molecular formula
- C21H22N2O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.16812795
Names & identifiers
- Preferred name
- Ketone, 5-benzyloxy-3-indolyl 4-piperidyl
- IUPAC
- (5-phenylmethoxy-1H-indol-3-yl)-piperidin-4-ylmethanone
- English name
- (5-phenylmethoxy-1H-indol-3-yl)-(4-piperidyl)methanone
- Molecular formula
- C21H22N2O2
- Molecular weight
- 0
Names & synonyms
101670-78-45-Benzyloxy-3-isonipecotoylindoleKETONE, 5-BENZYLOXY-3-INDOLYL 4-PIPERIDYLIndole, 5-benzyloxy-3-isonipecotoyl-DTXSID00144115RefChem:350434DTXCID6066606(5-(Benzyloxy)-1H-indol-3-yl)(piperidin-4-yl)methanone[5-(benzyloxy)-1h-indol-3-yl](piperidin-4-yl)methanone(5-phenylmethoxy-1H-indol-3-yl)-piperidin-4-ylmethanone(5-phenylmethoxy-1h-indol-3-yl)-(piperidin-4-yl)methanoneMethanone,[5-(phenylmethoxy)-1H-indol-3-yl]-4-piperidinyl-
Show more names
(5-PHENYLMETHOXY-1H-INDOL-3-YL)-(4-PIPERIDYL)METHANONEMethanone, [5-(phenylmethoxy)-1H-indol-3-yl]-4-piperidinyl-
Database identifiers
- CAS
101670-78-4- PubChem CID
- 58727
- DTXSID
DTXSID00144115- Nikkaji
- J96.771H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 470.37 °C · 470.37°C (rough estimate)
- Density
- 1.1642 · 1.1642 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
- Toxicity
- 50 ivn-mus: · LD50 ivn-mus: 28 mg/kg CSLNX* NX#12396
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 ivn-mus: 28 mg/kg CSLNX* NX#12396
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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